N-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

C32H33FN4O4 — CID 56844185

IUPACN-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)cc1)C1CC1
InChIInChI=1S/C32H33FN4O4/c1-36(28-14-15-28)31(40)23-6-12-26(13-7-23)34-29(38)20-21-2-10-27(11-3-21)35-30(39)22-16-18-37(19-17-22)32(41)24-4-8-25(33)9-5-24/h2-13,22,28H,14-20H2,1H3,(H,34,38)(H,35,39)
InChIKeyYPIKHPLSOGRBQQ-UHFFFAOYSA-N
MW556.64 g/mol
LogP4.73
Rot. Bonds8

About N-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide

N-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 56844185) has the molecular formula C32H33FN4O4 and a molecular weight of 556.64 g/mol. Its IUPAC name is N-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID56844185
Molecular FormulaC32H33FN4O4
Molecular Weight556.64 g/mol
Exact Mass556.25
IUPAC NameN-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
SMILESCN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)cc1)C1CC1
InChIInChI=1S/C32H33FN4O4/c1-36(28-14-15-28)31(40)23-6-12-26(13-7-23)34-29(38)20-21-2-10-27(11-3-21)35-30(39)22-16-18-37(19-17-22)32(41)24-4-8-25(33)9-5-24/h2-13,22,28H,14-20H2,1H3,(H,34,38)(H,35,39)
InChIKeyYPIKHPLSOGRBQQ-UHFFFAOYSA-N
XLogP4.73
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.64
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825633
1-(cyclopentanecarbonyl)-N-[4-[2-[3-[cyclopentyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825530
1-[4-[[2-(4-ethylphenyl)acetyl]amino]benzoyl]piperidine-4-carboxylic acid
CID 119250666
1-(cyclopropanecarbonyl)-N-[4-[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825596
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 35343180
N-(4-ethylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006644
N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113007926
4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 8698667
N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17224011
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006650
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide (CID 56844185) is N-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)cc1)C1CC1.
What is the InChIKey of N-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is YPIKHPLSOGRBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN4O4/c1-36(28-14-15-28)31(40)23-6-12-26(13-7-23)34-29(38)20-21-2-10-27(11-3-21)35-30(39)22-16-18-37(19-17-22)32(41)24-4-8-25(33)9-5-24/h2-13,22,28H,14-20H2,1H3,(H,34,38)(H,35,39).
What are the key properties of N-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide?
N-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 556.64 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 56844185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).